(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

C20H29N4O3+ — CID 9305182

IUPAC(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1
InChIInChI=1S/C20H28N4O3/c21-19(26)14-6-5-11-24(12-14)13-18(25)23-17-10-4-3-9-16(17)20(27)22-15-7-1-2-8-15/h3-4,9-10,14-15H,1-2,5-8,11-13H2,(H2,21,26)(H,22,27)(H,23,25)/p+1/t14-/m1/s1
InChIKeyXYKABFSVGLEWRQ-CQSZACIVSA-O
MW373.48 g/mol
LogP0.08
Rot. Bonds6

About (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide (PubChem CID 9305182) has the molecular formula C20H29N4O3+ and a molecular weight of 373.48 g/mol. Its IUPAC name is (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
PubChem CID9305182
Molecular FormulaC20H29N4O3+
Molecular Weight373.48 g/mol
Exact Mass373.22
IUPAC Name(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1
InChIInChI=1S/C20H28N4O3/c21-19(26)14-6-5-11-24(12-14)13-18(25)23-17-10-4-3-9-16(17)20(27)22-15-7-1-2-8-15/h3-4,9-10,14-15H,1-2,5-8,11-13H2,(H2,21,26)(H,22,27)(H,23,25)/p+1/t14-/m1/s1
InChIKeyXYKABFSVGLEWRQ-CQSZACIVSA-O
XLogP0.08
TPSA105.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 8583632
(3R)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305291
2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 11931481
(3S)-1-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305552
(3S)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305589
(3R)-1-[2-(2,6-difluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305502
ethyl (3S)-1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8532996
(3R)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305670
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
ethyl (3S)-1-[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8561989
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The IUPAC name of (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide (CID 9305182) is (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide is NC(=O)[C@@H]1CCC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1.
What is the InChIKey of (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The InChIKey is XYKABFSVGLEWRQ-CQSZACIVSA-O. The full InChI is InChI=1S/C20H28N4O3/c21-19(26)14-6-5-11-24(12-14)13-18(25)23-17-10-4-3-9-16(17)20(27)22-15-7-1-2-8-15/h3-4,9-10,14-15H,1-2,5-8,11-13H2,(H2,21,26)(H,22,27)(H,23,25)/p+1/t14-/m1/s1.
What are the key properties of (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 9305182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).